Information card for entry 7153357

Structure parameters

• Formula: C36 H40 N6 O2
• Calculated formula: C36 H33 N6 O2
• Title of publication: New class of highly stable nonaromatic tautomers.
• Authors of publication: Seillan, Claire; Marsal, Philippe; Siri, Olivier
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 17
• Pages of publication: 3882 - 3887
• a: 26.389 ± 0.002 Å
• b: 26.389 ± 0.002 Å
• c: 23.753 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14325 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2421
• Residual factor for significantly intense reflections: 0.1161
• Weighted residual factors for significantly intense reflections: 0.2621
• Weighted residual factors for all reflections included in the refinement: 0.3356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No